cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide

C14H12Cl2Zr — CID 15397844

IUPACcyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
SMILESCl[Zr+2]Cl.c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyWRJRCNTUXGXVOR-UHFFFAOYSA-L
MW342.38 g/mol
LogP5.34
Rot. Bonds

About cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide

cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide (PubChem CID 15397844) has the molecular formula C14H12Cl2Zr and a molecular weight of 342.38 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
PubChem CID15397844
Molecular FormulaC14H12Cl2Zr
Molecular Weight342.38 g/mol
Exact Mass339.94
IUPAC Namecyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
SMILESCl[Zr+2]Cl.c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyWRJRCNTUXGXVOR-UHFFFAOYSA-L
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;1H-inden-1-ide;titanium(2+)
CID 154419987
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
CID 175934824
cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide
CID 141083945
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
CID 176655072
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
CID 15303001
carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
CID 148548337
cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 158276689
CID 173008523
CID 173008523
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
magnesium;1H-inden-1-ide;bromide
CID 12823996
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide?
The IUPAC name of cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide (CID 15397844) is cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide.
What is the SMILES notation for cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide?
The canonical SMILES for cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide is Cl[Zr+2]Cl.c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide?
The InChIKey is WRJRCNTUXGXVOR-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C5H5.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide?
cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide has a molecular weight of 342.38 g/mol, XLogP of 5.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide is sourced from PubChem (CID 15397844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).